1-(Benzyloxy)-2-methyl-3-nitrobenzene supplier

Name
1-(Benzyloxy)-2-methyl-3-nitrobenzene
EINECS
CAS No. 20876-37-3
Article Data11
CAS DataBase
Density 1.203 g/cm³
Solubility
Melting Point 60-63 °C(lit.)
Formula C₁₄H₁₃NO₃
Boiling Point 382.238 °C at 760 mmHg
Molecular Weight 243.262
Flash Point 165.245 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ether,benzyl 3-nitro-o-tolyl (8CI);1-Nitro-2-methyl-3-[(phenylmethyl)oxy]benzene;2-(Benzyloxy)-6-nitrotoluene;2-Methyl-3-(phenylmethoxy)nitrobenzene;6-(Benzyloxy)-2-nitrotoluene;NSC 158558;1-Benzyloxy-2-methyl-3-nitrobenzene;
PSA 55.05000
LogP 4.00540

1-(Benzyloxy)-2-methyl-3-nitrobenzene Specification

The Benzene,2-methyl-1-nitro-3-(phenylmethoxy)-, with the CAS registry number 20876-37-3, is also known as 2-Nitro-1,4-bis(trifluoromethyl)benzene. It belongs to the product categories of Anilines; Aromatic Amines and Nitro Compounds. This chemical's molecular formula is C₁₄H₁₃NO₃ and formula weight is 243.26. What's more, its IUPAC name is 2-methyl-1-nitro-3-phenylmethoxybenzene.

Physical properties of Benzene,2-methyl-1-nitro-3-(phenylmethoxy)- are: (1)ACD/LogP: 4.28; (2)#H bond acceptors: 4; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 55.05 Å²; (6)Index of Refraction: 1.595; (7)Molar Refractivity: 68.78 cm³; (8)Molar Volume: 202.2 cm³; (9)Surface Tension: 46.8 dyne/cm; (10)Density: 1.202 g/cm³; (11)Flash Point: 165.2 °C; (12)Enthalpy of Vaporization: 60.59 kJ/mol; (13)Boiling Point: 382.2 °C at 760 mmHg; (14)Vapour Pressure: 1.05E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by chloromethyl-benzene, 6-Nitro-2-oxy-toluol by heating. This reaction will need reagent NaOEt and solvent ethanol with the reaction time of 8 hours. The yield is about 94%.

Uses of Benzene,2-methyl-1-nitro-3-(phenylmethoxy)-: it can be used to produce 4-benzyloxy-indole at the temperature of 120°C. It will need reagent iron and catalyst silica gel with the reaction time of 4 hours under the condition of vacuum.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC=C1OCC2=CC=CC=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
(3)InChIKey: PBSZHNXXFIYDBU-UHFFFAOYSA-N

Product Name

1-(Benzyloxy)-2-methyl-3-nitrobenzene

1-(Benzyloxy)-2-methyl-3-nitrobenzene Specification

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